N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

C17H29NO — CID 6933183

IUPACN-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)C1CCCCC1)C2
InChIInChI=1S/C17H29NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,19)/t13-,14+,17+/m1/s1
InChIKeyURSYPWUHEMADOT-KEYYUXOJSA-N
MW263.42 g/mol
LogP3.90
Rot. Bonds2

About N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (PubChem CID 6933183) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
PubChem CID6933183
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)C1CCCCC1)C2
InChIInChI=1S/C17H29NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,19)/t13-,14+,17+/m1/s1
InChIKeyURSYPWUHEMADOT-KEYYUXOJSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (CID 6933183) is N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)C1CCCCC1)C2.
What is the InChIKey of N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The InChIKey is URSYPWUHEMADOT-KEYYUXOJSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,19)/t13-,14+,17+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is sourced from PubChem (CID 6933183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).